SCHEMBL6311642

SCHEMBL6311642

OC(CN(Cc1ccccc1SC(F)(F)F)c1cccc(OCc2cccc(C(F)(F)F)c2)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.51
NR4A2 P43354 1/20 0.41
MAOB P27338 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7653042 0.90 CETP (0.53) CETP
SCHEMBL6311640 0.86 CETP (0.56) CETPNR4A2MAOB
SCHEMBL6305585 0.86 CETP (0.52) CETPNR4A2MAOBMAPTHTT
SCHEMBL6308304 0.86 CETP (0.51) CETPNR4A2MAOB
SCHEMBL6304000 0.85 CETP (0.54) CETPNR4A2MAOBMAPTHTT
SCHEMBL6307223 0.84 CETP (0.54) CETPNR4A2MAOBMAPTHTT
SCHEMBL6312173 0.84 CETP (0.50) CETPNR4A2MAOBMRGPRX4
SCHEMBL6307549 0.84 CETP (0.49) CETP
SCHEMBL6312277 0.83 CETP (0.60) CETPNR4A2MAOB
SCHEMBL6308667 0.80 CETP (0.77) CETP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-12-04 US claimed
US-6482862-B1 Method of using substituted N-benzyl-N-phenyl aminoalcohols for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-11-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, MTTP CETP 1/4885NR4A2 1830/4885MAOB 1526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.